CID 53216801

{[4-fluoro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}dimethylamine hydrochloride

Structural Information

Molecular Formula
C15H23BFNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)CN(C)C)F
InChI
InChI=1S/C15H23BFNO2/c1-14(2)15(3,4)20-16(19-14)12-9-11(10-18(5)6)7-8-13(12)17/h7-9H,10H2,1-6H3
InChIKey
WMMHWBVAEMEASZ-UHFFFAOYSA-N
Compound name
1-[4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

279.18057 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.18785 160.1
[M+Na]+ 302.16979 169.1
[M-H]- 278.17329 168.9
[M+NH4]+ 297.21439 180.6
[M+K]+ 318.14373 169.7
[M+H-H2O]+ 262.17783 154.5
[M+HCOO]- 324.17877 180.9
[M+CH3COO]- 338.19442 207.1
[M+Na-2H]- 300.15524 163.8
[M]+ 279.18002 163.7
[M]- 279.18112 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe